NPASS Natural Product

Natural Product: NPC471853

Natural Product ID:	NPC471853
Common Name:	Cyrtophyllone B
IUPAC Name:	(4aS,10aS)-5,6-dihydroxy-7-(1-hydroxypropan-2-yl)-1,1,4a-trimethyl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one
Synonyms:
Molecular Formula:	C20H28O4
Standard InCHIKey:	YNCLENYSOZNFFY-YNSNGZELSA-N
Standard InCHI:	InChI=1S/C20H28O4/c1-11(10-21)12-8-13-14(22)9-15-19(2,3)6-5-7-20(15,4)16(13)18(24)17(12)23/h8,11,15,21,23-24H,5-7,9-10H2,1-4H3/t11?,15-,20-/m0/s1
Canonical SMILES:	OCC(c1cc2C(=O)C[C@@H]3[C@](c2c(c1O)O)(C)CCCC3(C)C)C
First Find Year:
Max Developmental Stage:
Synthetic Gene Cluster:	;

Species Source

Organism ID	Organism Name	Taxonomy Level	Family	SuperKingdom	Isolation Part	Collection Location	Collection Time	Reference
NPO17762	Crossopetalum gaumeri	Species	Celastraceae	Eukaryota	Roots	Yucatan Peninsula		PMID[24709561]

Biological Activity

Activity Type	# Activity
IC50	6

Activity Type	# Activity
Cell Line	4
Others	2

Target ID	Target Type	Target Name	Target Organism	Activity Type	Activity Relation	Value	Unit	Reference
NPT165	Cell Line	HeLa	Homo sapiens	IC50	>	70000	nM	10780913
NPT165	Cell Line	HeLa	Homo sapiens	IC50	>	70000	nM	24709561
NPT189	Cell Line	Vero	Chlorocebus aethiops	IC50	>	70000	nM	14738378
NPT2	Others	Unspecified		IC50	>	70000	nM	Open TG-GATES in vivo data: Hematology
NPT2	Others	Unspecified		IC50	>	70000	nM	24159368
NPT189	Cell Line	Vero	Chlorocebus aethiops	IC50	>	70000	nM	19067555

Similar Natural Products in NPASS

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient

● The left chart: Distribution of similarity level between NPC471853 and all remaining natural products in the NPASS database.
● The right table: Most similar natural products (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	237
0.1-0.2	1048
0.2-0.3	1948
0.3-0.4	3983
0.4-0.5	7469
0.5-0.6	5243
0.6-0.7	6275
0.7-0.8	4316
0.8-0.85	294
0.85-0.9	66
0.9-0.95	9
0.95-1	1

Similarity Score	Similarity Level	Natural Product ID
0.9706	High Similarity	NPC248068
0.9474	High Similarity	NPC111845
0.9412	High Similarity	NPC230811
0.9328	High Similarity	NPC138472
0.9259	High Similarity	NPC202225
0.9191	High Similarity	NPC153088
0.9179	High Similarity	NPC471851
0.9118	High Similarity	NPC293454
0.9037	High Similarity	NPC291001
0.9	High Similarity	NPC476534
0.8963	High Similarity	NPC108129
0.8951	High Similarity	NPC75295
0.8921	High Similarity	NPC277559
0.8921	High Similarity	NPC475957
0.8921	High Similarity	NPC49911
0.8905	High Similarity	NPC78307
0.8905	High Similarity	NPC4170
0.8881	High Similarity	NPC69424
0.8881	High Similarity	NPC78364
0.8881	High Similarity	NPC176130
0.8881	High Similarity	NPC84672
0.8881	High Similarity	NPC126707
0.8881	High Similarity	NPC196941
0.8881	High Similarity	NPC309169
0.8857	High Similarity	NPC61398
0.8857	High Similarity	NPC416
0.8828	High Similarity	NPC52692
0.8819	High Similarity	NPC258856
0.8777	High Similarity	NPC258502
0.8768	High Similarity	NPC477139
0.8759	High Similarity	NPC474991
0.8741	High Similarity	NPC184935
0.8741	High Similarity	NPC72667
0.8725	High Similarity	NPC62051
0.8723	High Similarity	NPC141368
0.8707	High Similarity	NPC142654
0.869	High Similarity	NPC68441
0.8676	High Similarity	NPC3009
0.8671	High Similarity	NPC92079
0.8667	High Similarity	NPC254492
0.863	High Similarity	NPC246229
0.863	High Similarity	NPC476535
0.863	High Similarity	NPC191899
0.8623	High Similarity	NPC476847
0.8621	High Similarity	NPC244691
0.8613	High Similarity	NPC303910
0.8613	High Similarity	NPC171460
0.8613	High Similarity	NPC276238
0.8611	High Similarity	NPC471971
0.8611	High Similarity	NPC471972
0.8611	High Similarity	NPC469855
0.8611	High Similarity	NPC30846
0.8601	High Similarity	NPC470035
0.8592	High Similarity	NPC471974
0.8592	High Similarity	NPC469681
0.8592	High Similarity	NPC469680
0.8591	High Similarity	NPC124842
0.8582	High Similarity	NPC471187
0.8582	High Similarity	NPC7464
0.8571	High Similarity	NPC204582
0.8571	High Similarity	NPC127046
0.8562	High Similarity	NPC84786
0.8562	High Similarity	NPC470038
0.8552	High Similarity	NPC100242
0.8552	High Similarity	NPC199936
0.8542	High Similarity	NPC272907
0.8542	High Similarity	NPC2681
0.854	High Similarity	NPC234175
0.8521	High Similarity	NPC147418
0.8519	High Similarity	NPC181334
0.8519	High Similarity	NPC199273
0.8503	High Similarity	NPC58752
0.8503	High Similarity	NPC136878
0.85	High Similarity	NPC314048
0.85	High Similarity	NPC52407
0.85	High Similarity	NPC294226
0.8493	Intermediate Similarity	NPC469854
0.8493	Intermediate Similarity	NPC469856
0.8493	Intermediate Similarity	NPC29932
0.8489	Intermediate Similarity	NPC93015
0.8483	Intermediate Similarity	NPC474961
0.8483	Intermediate Similarity	NPC135524
0.8472	Intermediate Similarity	NPC3218
0.8462	Intermediate Similarity	NPC469857
0.8462	Intermediate Similarity	NPC5014
0.8462	Intermediate Similarity	NPC297797
0.8462	Intermediate Similarity	NPC50615
0.8462	Intermediate Similarity	NPC149773
0.8462	Intermediate Similarity	NPC206207
0.8462	Intermediate Similarity	NPC28592
0.8462	Intermediate Similarity	NPC91887
0.8462	Intermediate Similarity	NPC477849
0.8462	Intermediate Similarity	NPC473479
0.8462	Intermediate Similarity	NPC245760
0.8462	Intermediate Similarity	NPC51531
0.8462	Intermediate Similarity	NPC23667
0.8462	Intermediate Similarity	NPC46242
0.8462	Intermediate Similarity	NPC157284
0.8462	Intermediate Similarity	NPC473779
0.8462	Intermediate Similarity	NPC165191
0.8462	Intermediate Similarity	NPC289358
0.8462	Intermediate Similarity	NPC42384
0.8462	Intermediate Similarity	NPC114333
0.8456	Intermediate Similarity	NPC137750
0.8456	Intermediate Similarity	NPC87985
0.8451	Intermediate Similarity	NPC315275
0.8446	Intermediate Similarity	NPC10842
0.8446	Intermediate Similarity	NPC5568
0.8446	Intermediate Similarity	NPC470757
0.8435	Intermediate Similarity	NPC225351
0.8429	Intermediate Similarity	NPC70622
0.8414	Intermediate Similarity	NPC204045
0.8414	Intermediate Similarity	NPC305845
0.8408	Intermediate Similarity	NPC263212
0.8406	Intermediate Similarity	NPC96024
0.8403	Intermediate Similarity	NPC294330
0.8403	Intermediate Similarity	NPC190457
0.84	Intermediate Similarity	NPC470037
0.84	Intermediate Similarity	NPC476532
0.84	Intermediate Similarity	NPC225854
0.84	Intermediate Similarity	NPC280295
0.84	Intermediate Similarity	NPC48949
0.8392	Intermediate Similarity	NPC477592
0.838	Intermediate Similarity	NPC103082
0.8378	Intermediate Similarity	NPC471970
0.837	Intermediate Similarity	NPC282577
0.8367	Intermediate Similarity	NPC471906
0.8356	Intermediate Similarity	NPC192597
0.8356	Intermediate Similarity	NPC176030
0.8356	Intermediate Similarity	NPC141817
0.8356	Intermediate Similarity	NPC229218
0.8356	Intermediate Similarity	NPC308572
0.8356	Intermediate Similarity	NPC169214
0.8345	Intermediate Similarity	NPC473527
0.8345	Intermediate Similarity	NPC203063
0.8345	Intermediate Similarity	NPC181560
0.8345	Intermediate Similarity	NPC169452
0.8344	Intermediate Similarity	NPC473201
0.8344	Intermediate Similarity	NPC302783
0.8344	Intermediate Similarity	NPC75377
0.8344	Intermediate Similarity	NPC221249
0.8333	Intermediate Similarity	NPC324209
0.8333	Intermediate Similarity	NPC303989
0.8333	Intermediate Similarity	NPC123714
0.8322	Intermediate Similarity	NPC475111
0.8311	Intermediate Similarity	NPC170055
0.8299	Intermediate Similarity	NPC238629
0.8299	Intermediate Similarity	NPC50954
0.8296	Intermediate Similarity	NPC154696
0.8289	Intermediate Similarity	NPC476533
0.8289	Intermediate Similarity	NPC164912
0.8289	Intermediate Similarity	NPC180944
0.8286	Intermediate Similarity	NPC117609
0.8286	Intermediate Similarity	NPC199253
0.8286	Intermediate Similarity	NPC136588
0.8278	Intermediate Similarity	NPC474191
0.8276	Intermediate Similarity	NPC138099
0.8276	Intermediate Similarity	NPC242994
0.8273	Intermediate Similarity	NPC767
0.8273	Intermediate Similarity	NPC247250
0.8273	Intermediate Similarity	NPC229894
0.8267	Intermediate Similarity	NPC471907
0.8264	Intermediate Similarity	NPC290030
0.8264	Intermediate Similarity	NPC53001
0.8264	Intermediate Similarity	NPC264022
0.8264	Intermediate Similarity	NPC471905
0.8261	Intermediate Similarity	NPC71610
0.8255	Intermediate Similarity	NPC285122
0.8255	Intermediate Similarity	NPC143685
0.8255	Intermediate Similarity	NPC273798
0.8252	Intermediate Similarity	NPC283088
0.8252	Intermediate Similarity	NPC477596
0.8248	Intermediate Similarity	NPC15127
0.8248	Intermediate Similarity	NPC12818
0.8243	Intermediate Similarity	NPC79627
0.8243	Intermediate Similarity	NPC300684
0.8243	Intermediate Similarity	NPC48130
0.8243	Intermediate Similarity	NPC218866
0.8243	Intermediate Similarity	NPC84568
0.8239	Intermediate Similarity	NPC49742
0.8239	Intermediate Similarity	NPC239855
0.8239	Intermediate Similarity	NPC115458
0.8239	Intermediate Similarity	NPC114183
0.8239	Intermediate Similarity	NPC59459
0.8235	Intermediate Similarity	NPC471794
0.8235	Intermediate Similarity	NPC11250
0.8235	Intermediate Similarity	NPC93552
0.8235	Intermediate Similarity	NPC107109
0.8231	Intermediate Similarity	NPC193555
0.8231	Intermediate Similarity	NPC469520
0.8231	Intermediate Similarity	NPC11314
0.8231	Intermediate Similarity	NPC85310
0.8227	Intermediate Similarity	NPC18798
0.8227	Intermediate Similarity	NPC41847
0.8227	Intermediate Similarity	NPC312341
0.8227	Intermediate Similarity	NPC17083
0.8224	Intermediate Similarity	NPC118427
0.8224	Intermediate Similarity	NPC35
0.8214	Intermediate Similarity	NPC117899
0.8214	Intermediate Similarity	NPC99731

Similar Clinical/Approved Drugs

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.

● The left chart: Distribution of similarity level between NPC471853 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

range	Tanimoto Coefficient
0-0.1	257
0.1-0.2	887
0.2-0.3	1440
0.3-0.4	2573
0.4-0.5	2179
0.5-0.6	1216
0.6-0.7	516
0.7-0.8	91
0.8-0.85	1
0.85-0.9	1
0.9-0.95	0
0.95-1	0

Similarity Score	Similarity Level	Drug ID	Developmental Stage
0.869	High Similarity	NPD7422	Clinical (unspecified phase)
0.8194	Intermediate Similarity	NPD1509	Clinical (unspecified phase)
0.7929	Intermediate Similarity	NPD1470	Approved
0.7919	Intermediate Similarity	NPD8166	Discontinued
0.7917	Intermediate Similarity	NPD943	Approved
0.7881	Intermediate Similarity	NPD7390	Discontinued
0.7823	Intermediate Similarity	NPD651	Clinical (unspecified phase)
0.781	Intermediate Similarity	NPD4196	Clinical (unspecified phase)
0.777	Intermediate Similarity	NPD5404	Approved
0.777	Intermediate Similarity	NPD5406	Approved
0.777	Intermediate Similarity	NPD1201	Approved
0.777	Intermediate Similarity	NPD5405	Approved
0.777	Intermediate Similarity	NPD5408	Approved
0.7754	Intermediate Similarity	NPD3019	Approved
0.773	Intermediate Similarity	NPD7473	Discontinued
0.7658	Intermediate Similarity	NPD2393	Clinical (unspecified phase)
0.7654	Intermediate Similarity	NPD6232	Discontinued
0.7626	Intermediate Similarity	NPD2932	Approved
0.753	Intermediate Similarity	NPD5844	Phase 1
0.7516	Intermediate Similarity	NPD7458	Discontinued
0.75	Intermediate Similarity	NPD230	Phase 1
0.7468	Intermediate Similarity	NPD3300	Phase 2
0.7465	Intermediate Similarity	NPD9269	Phase 2
0.7453	Intermediate Similarity	NPD4868	Clinical (unspecified phase)
0.7451	Intermediate Similarity	NPD4628	Phase 3
0.7451	Intermediate Similarity	NPD7003	Approved
0.7431	Intermediate Similarity	NPD3094	Phase 2
0.7403	Intermediate Similarity	NPD6190	Approved
0.7399	Intermediate Similarity	NPD8397	Clinical (unspecified phase)
0.7394	Intermediate Similarity	NPD3092	Approved
0.7375	Intermediate Similarity	NPD1934	Approved
0.7372	Intermediate Similarity	NPD2534	Approved
0.7372	Intermediate Similarity	NPD2532	Approved
0.7372	Intermediate Similarity	NPD2533	Approved
0.7329	Intermediate Similarity	NPD2801	Approved
0.7324	Intermediate Similarity	NPD3023	Approved
0.7324	Intermediate Similarity	NPD3026	Approved
0.7319	Intermediate Similarity	NPD5951	Approved
0.7305	Intermediate Similarity	NPD3024	Approved
0.7305	Intermediate Similarity	NPD3025	Approved
0.7296	Intermediate Similarity	NPD3226	Approved
0.7283	Intermediate Similarity	NPD8150	Discontinued
0.7273	Intermediate Similarity	NPD6959	Discontinued
0.7273	Intermediate Similarity	NPD7421	Clinical (unspecified phase)
0.7255	Intermediate Similarity	NPD2346	Discontinued
0.725	Intermediate Similarity	NPD4380	Phase 2
0.7248	Intermediate Similarity	NPD6663	Approved
0.7246	Intermediate Similarity	NPD6167	Clinical (unspecified phase)
0.7246	Intermediate Similarity	NPD6166	Phase 2
0.7246	Intermediate Similarity	NPD6168	Clinical (unspecified phase)
0.7239	Intermediate Similarity	NPD3882	Suspended
0.7234	Intermediate Similarity	NPD3091	Approved
0.7214	Intermediate Similarity	NPD405	Clinical (unspecified phase)
0.7211	Intermediate Similarity	NPD9494	Approved
0.7211	Intermediate Similarity	NPD5736	Approved
0.7206	Intermediate Similarity	NPD3022	Approved
0.7206	Intermediate Similarity	NPD3021	Approved
0.72	Intermediate Similarity	NPD3619	Clinical (unspecified phase)
0.72	Intermediate Similarity	NPD3620	Phase 2
0.7197	Intermediate Similarity	NPD1511	Approved
0.7183	Intermediate Similarity	NPD9268	Approved
0.7181	Intermediate Similarity	NPD3764	Approved
0.716	Intermediate Similarity	NPD3818	Discontinued
0.716	Intermediate Similarity	NPD37	Approved
0.7153	Intermediate Similarity	NPD4141	Clinical (unspecified phase)
0.7152	Intermediate Similarity	NPD6234	Discontinued
0.7135	Intermediate Similarity	NPD7993	Clinical (unspecified phase)
0.7133	Intermediate Similarity	NPD3412	Clinical (unspecified phase)
0.7126	Intermediate Similarity	NPD8055	Clinical (unspecified phase)
0.7124	Intermediate Similarity	NPD3299	Clinical (unspecified phase)
0.7117	Intermediate Similarity	NPD1465	Phase 2
0.7117	Intermediate Similarity	NPD7819	Suspended
0.7114	Intermediate Similarity	NPD5952	Clinical (unspecified phase)
0.7108	Intermediate Similarity	NPD5494	Approved
0.7107	Intermediate Similarity	NPD1512	Approved
0.7107	Intermediate Similarity	NPD6273	Approved
0.7103	Intermediate Similarity	NPD3972	Approved
0.7081	Intermediate Similarity	NPD5808	Clinical (unspecified phase)
0.7078	Intermediate Similarity	NPD6100	Approved
0.7078	Intermediate Similarity	NPD2935	Discontinued
0.7078	Intermediate Similarity	NPD6099	Approved
0.7066	Intermediate Similarity	NPD8127	Discontinued
0.705	Intermediate Similarity	NPD7635	Approved
0.7044	Intermediate Similarity	NPD4378	Clinical (unspecified phase)
0.703	Intermediate Similarity	NPD4965	Approved
0.703	Intermediate Similarity	NPD4966	Approved
0.703	Intermediate Similarity	NPD4967	Phase 2
0.7022	Intermediate Similarity	NPD7879	Clinical (unspecified phase)
0.7014	Intermediate Similarity	NPD7163	Clinical (unspecified phase)
0.7014	Intermediate Similarity	NPD3095	Discontinued
0.7013	Intermediate Similarity	NPD1510	Phase 2
0.7011	Intermediate Similarity	NPD8313	Approved
0.7011	Intermediate Similarity	NPD8312	Approved
0.6993	Remote Similarity	NPD1607	Approved
0.6987	Remote Similarity	NPD970	Clinical (unspecified phase)
0.6977	Remote Similarity	NPD7074	Phase 3
0.697	Remote Similarity	NPD8443	Clinical (unspecified phase)
0.6959	Remote Similarity	NPD7228	Approved
0.6944	Remote Similarity	NPD6535	Approved
0.6944	Remote Similarity	NPD6534	Approved
0.6943	Remote Similarity	NPD2800	Approved
0.6939	Remote Similarity	NPD4379	Clinical (unspecified phase)
0.6937	Remote Similarity	NPD7410	Clinical (unspecified phase)
0.6937	Remote Similarity	NPD7004	Clinical (unspecified phase)
0.6934	Remote Similarity	NPD2342	Discontinued
0.6933	Remote Similarity	NPD6599	Discontinued
0.6919	Remote Similarity	NPD7054	Approved
0.6918	Remote Similarity	NPD7236	Approved
0.6914	Remote Similarity	NPD3534	Clinical (unspecified phase)
0.6903	Remote Similarity	NPD2799	Discontinued
0.6899	Remote Similarity	NPD6398	Clinical (unspecified phase)
0.6892	Remote Similarity	NPD1283	Approved
0.6887	Remote Similarity	NPD7008	Discontinued
0.6886	Remote Similarity	NPD7075	Discontinued
0.6883	Remote Similarity	NPD6651	Approved
0.6879	Remote Similarity	NPD7472	Approved
0.6875	Remote Similarity	NPD6143	Clinical (unspecified phase)
0.6875	Remote Similarity	NPD9545	Approved
0.6867	Remote Similarity	NPD3817	Phase 2
0.6863	Remote Similarity	NPD1240	Approved
0.6857	Remote Similarity	NPD5028	Approved
0.6857	Remote Similarity	NPD4955	Approved
0.6857	Remote Similarity	NPD5034	Approved
0.6857	Remote Similarity	NPD4954	Approved
0.6857	Remote Similarity	NPD36	Approved
0.6857	Remote Similarity	NPD5026	Approved
0.6855	Remote Similarity	NPD7910	Clinical (unspecified phase)
0.6846	Remote Similarity	NPD1164	Approved
0.6839	Remote Similarity	NPD6797	Phase 2
0.6835	Remote Similarity	NPD6674	Discontinued
0.6832	Remote Similarity	NPD4160	Clinical (unspecified phase)
0.6831	Remote Similarity	NPD7700	Phase 2
0.6831	Remote Similarity	NPD7699	Phase 2
0.6828	Remote Similarity	NPD1651	Approved
0.6824	Remote Similarity	NPD5711	Approved
0.6824	Remote Similarity	NPD5710	Approved
0.6815	Remote Similarity	NPD7266	Discontinued
0.6812	Remote Similarity	NPD9265	Clinical (unspecified phase)
0.681	Remote Similarity	NPD7239	Suspended
0.6807	Remote Similarity	NPD7096	Clinical (unspecified phase)
0.68	Remote Similarity	NPD7685	Pre-registration
0.68	Remote Similarity	NPD5030	Phase 2
0.68	Remote Similarity	NPD6559	Discontinued
0.68	Remote Similarity	NPD7251	Discontinued
0.6798	Remote Similarity	NPD5038	Approved
0.6798	Remote Similarity	NPD8434	Phase 2
0.6798	Remote Similarity	NPD5037	Approved
0.6796	Remote Similarity	NPD6212	Phase 3
0.6796	Remote Similarity	NPD6213	Phase 3
0.6796	Remote Similarity	NPD6214	Clinical (unspecified phase)
0.6792	Remote Similarity	NPD3750	Approved
0.6788	Remote Similarity	NPD7411	Suspended
0.6786	Remote Similarity	NPD4381	Clinical (unspecified phase)
0.6781	Remote Similarity	NPD4626	Approved
0.6781	Remote Similarity	NPD4059	Approved
0.6772	Remote Similarity	NPD1549	Phase 2
0.6765	Remote Similarity	NPD7199	Phase 2
0.6763	Remote Similarity	NPD7177	Discontinued
0.6763	Remote Similarity	NPD6831	Clinical (unspecified phase)
0.6761	Remote Similarity	NPD4338	Clinical (unspecified phase)
0.6761	Remote Similarity	NPD4869	Clinical (unspecified phase)
0.6757	Remote Similarity	NPD6778	Approved
0.6757	Remote Similarity	NPD6781	Approved
0.6757	Remote Similarity	NPD6780	Approved
0.6757	Remote Similarity	NPD4878	Approved
0.6757	Remote Similarity	NPD6776	Approved
0.6757	Remote Similarity	NPD6782	Approved
0.6757	Remote Similarity	NPD6777	Approved
0.6757	Remote Similarity	NPD6779	Approved
0.6755	Remote Similarity	NPD4208	Discontinued
0.6753	Remote Similarity	NPD2979	Phase 3
0.6753	Remote Similarity	NPD4060	Phase 1
0.6748	Remote Similarity	NPD6980	Clinical (unspecified phase)
0.6747	Remote Similarity	NPD6801	Discontinued
0.6742	Remote Similarity	NPD5036	Approved
0.6732	Remote Similarity	NPD2313	Discontinued
0.6727	Remote Similarity	NPD7028	Phase 2
0.6723	Remote Similarity	NPD5035	Approved
0.6714	Remote Similarity	NPD4750	Phase 3
0.6713	Remote Similarity	NPD2629	Approved
0.6709	Remote Similarity	NPD1550	Clinical (unspecified phase)
0.6709	Remote Similarity	NPD2344	Approved
0.6709	Remote Similarity	NPD2343	Clinical (unspecified phase)
0.6709	Remote Similarity	NPD1552	Clinical (unspecified phase)
0.6707	Remote Similarity	NPD5761	Phase 2
0.6707	Remote Similarity	NPD5760	Phase 2
0.6705	Remote Similarity	NPD5027	Approved
0.6705	Remote Similarity	NPD5031	Approved
0.6705	Remote Similarity	NPD5029	Approved
0.6702	Remote Similarity	NPD8320	Phase 1
0.6702	Remote Similarity	NPD8319	Approved
0.6692	Remote Similarity	NPD1809	Phase 2
0.669	Remote Similarity	NPD7610	Discontinued
0.6689	Remote Similarity	NPD6007	Clinical (unspecified phase)
0.6689	Remote Similarity	NPD1281	Approved
0.6689	Remote Similarity	NPD2798	Approved
0.6685	Remote Similarity	NPD2490	Approved
0.6685	Remote Similarity	NPD2488	Approved
0.6667	Remote Similarity	NPD8438	Clinical (unspecified phase)
0.6667	Remote Similarity	NPD7808	Phase 3

Structure

NPC471853 OpenBabel07101719132D 24 26 0 0 1 0 0 0 0 0999 V2000 -2.5981 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9641 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4641 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 -2.0000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.8660 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 -0.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8660 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8660 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.5981 -3.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 -3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0000 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 2 19 1 0 0 0 0 3 19 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 19 1 0 0 0 0 7 20 1 0 0 0 0 8 12 1 0 0 0 0 8 13 2 0 0 0 0 9 14 1 0 0 0 0 9 15 1 0 0 0 0 10 11 1 0 0 0 0 10 21 1 0 0 0 0 11 12 1 0 0 0 0 12 17 2 0 0 0 0 13 14 1 0 0 0 0 13 16 1 0 0 0 0 14 22 2 0 0 0 0 15 19 1 0 0 0 0 15 20 1 6 0 0 0 16 18 2 0 0 0 0 16 20 1 0 0 0 0 17 18 1 0 0 0 0 17 23 1 0 0 0 0 18 24 1 0 0 0 0 20 4 1 6 0 0 0 M END $$$$

External Identifiers

PubChem CID	90675931
ChEMBL	CHEMBL3261316
ZINC

Physicochemical Properties

Molecular Weight:	332.20
ALogP:	-0.5726
MLogP:	3.22
XLogP:	3.995
# Rotatable Bonds:	9
Polar Surface Area:	77.76
# H-Bond Aceptor:	2
# H-Bond Donor:	3
# Rings:	3
# Heavy Atoms:	24

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